(E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide

C5H9N3O — CID 144858471

IUPAC(E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide
SMILES[H]/N=C/C(=C\N)C(=O)NC
InChIInChI=1S/C5H9N3O/c1-8-5(9)4(2-6)3-7/h2-3,6H,7H2,1H3,(H,8,9)/b4-3+,6-2+
InChIKeyFMVPNVGNYWVYSS-RPCHPSCSSA-N
MW127.15 g/mol
LogP-0.78
Rot. Bonds2

About (E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide

(E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide (PubChem CID 144858471) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide
PubChem CID144858471
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide
SMILES[H]/N=C/C(=C\N)C(=O)NC
InChIInChI=1S/C5H9N3O/c1-8-5(9)4(2-6)3-7/h2-3,6H,7H2,1H3,(H,8,9)/b4-3+,6-2+
InChIKeyFMVPNVGNYWVYSS-RPCHPSCSSA-N
XLogP-0.78
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide?
The IUPAC name of (E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide (CID 144858471) is (E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide is [H]/N=C/C(=C\N)C(=O)NC.
What is the InChIKey of (E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide?
The InChIKey is FMVPNVGNYWVYSS-RPCHPSCSSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8-5(9)4(2-6)3-7/h2-3,6H,7H2,1H3,(H,8,9)/b4-3+,6-2+.
What are the key properties of (E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide?
(E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide has a molecular weight of 127.15 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide is sourced from PubChem (CID 144858471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).